Kimika Teorikoa: Conceptos y Simulaciones en (Foto)Quimica, (Bio)Polimeros y Materiales Avanzados
VU University Amsterdam
Ámsterdam, HolandaPublicaciones en colaboración con investigadores/as de VU University Amsterdam (6)
2021
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Coupling Natural Orbital Functional Theory and Many-Body Perturbation Theory by Using Nondynamically Correlated Canonical Orbitals
Journal of Chemical Theory and Computation, Vol. 17, Núm. 12, pp. 7562-7574
2016
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4th international conference on chemical bonding
Journal of Physical Chemistry A, Vol. 120, Núm. 47, pp. 9353-9356
2015
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Planar pentacoordinate carbons in CBe54- derivatives
Physical Chemistry Chemical Physics, Vol. 17, Núm. 6, pp. 4620-4624
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The Electronic Structure of the Al3- Anion: Is it Aromatic?
Chemistry - A European Journal, Vol. 21, Núm. 27, pp. 9610-9614
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The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: A first-principles study
Physical Chemistry Chemical Physics, Vol. 17, Núm. 8, pp. 6076-6086
2007
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New solids based on B12N12 fullerenes
Journal of Physical Chemistry C, Vol. 111, Núm. 36, pp. 13354-13360